4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=1.8493919858683476 pbc="F T F" Pd 0.01821382 -0.29424575 -0.03036777 46 -8.52235254 3.11900706 -10.04764327 Pd 1.65586213 1.59414872 -0.16773400 46 8.65407166 -0.75224246 -7.48760413 Pd 1.23049600 0.31913745 1.45631248 46 9.23193986 -0.89755958 8.83493228 Pd 0.24843919 1.64432661 1.26023492 46 -9.36365898 -1.46920501 8.70031512